3IPS

X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Oxysterols receptor LXR-alpha	polymer	283	32866.4	2	UniProt (Q13133) Pfam (PF00104)	Homo sapiens (human)	Liver X receptor alpha, Nuclear orphan receptor LXR-alpha, Nuclear receptor subfamily 1 group H member 3
2	C, D (C, D)	Nuclear receptor coactivator 1	polymer	25	2806.2	2	UniProt (Q15788) Pfam (PF08832)		NCoA-1, Steroid receptor coactivator 1, SRC-1, RIP160, Protein Hin-2, Renal carcinoma antigen NY-REN-52
3	E, H (A, D)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	F, G (A, B)	{3-chloro-4-[(3-{[7-propyl-3-(trifluoromethyl)-1,2-benzisoxazol-6-yl]oxy}propyl)sulfanyl]phenyl}acetic acid	non-polymer		487.9	2	Chemie (O90)
5	I, J, K, L (A, B, C, D)	water	water		18.0	18	Chemie (HOH)

Sequence modifications

A, B: 182 - 447 (UniProt: Q13133)

PDB	External Database	Details
Met 165	-	expression tag
Lys 166	-	expression tag
His 167	-	expression tag
Gln 168	-	expression tag
His 169	-	expression tag
Gln 170	-	expression tag
His 171	-	expression tag
Gln 172	-	expression tag
His 173	-	expression tag
Gln 174	-	expression tag
His 175	-	expression tag
Gln 176	-	expression tag
His 177	-	expression tag
Gln 178	-	expression tag
Gln 179	-	expression tag
Pro 180	-	expression tag
Leu 181	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	71345.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1168.0
All*	Total formula weight	72513.1

*Water molecules are not included.